4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one

C11H17N3O — CID 116596708

IUPAC4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
SMILESCc1cnc(N)c(C(=O)CC(C)CN)c1
InChIInChI=1S/C11H17N3O/c1-7(5-12)4-10(15)9-3-8(2)6-14-11(9)13/h3,6-7H,4-5,12H2,1-2H3,(H2,13,14)
InChIKeyCUMNYLDSDUBFSN-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.14
Rot. Bonds4

About 4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one

4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one (PubChem CID 116596708) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
PubChem CID116596708
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
SMILESCc1cnc(N)c(C(=O)CC(C)CN)c1
InChIInChI=1S/C11H17N3O/c1-7(5-12)4-10(15)9-3-8(2)6-14-11(9)13/h3,6-7H,4-5,12H2,1-2H3,(H2,13,14)
InChIKeyCUMNYLDSDUBFSN-UHFFFAOYSA-N
XLogP1.14
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116574050
2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone
CID 116591054
1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone
CID 65130731
3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one
CID 116567110
1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303
4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116596719
1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone
CID 116555449
1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone
CID 66139550
1-(2-amino-5-methyl-3-pyridinyl)-2-piperidin-4-ylethanone
CID 116560007
1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone
CID 64558684
4-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-one
CID 116916091
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-2-methylbutan-1-one
CID 116611000

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one (CID 116596708) is 4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one is Cc1cnc(N)c(C(=O)CC(C)CN)c1.
What is the InChIKey of 4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one?
The InChIKey is CUMNYLDSDUBFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(5-12)4-10(15)9-3-8(2)6-14-11(9)13/h3,6-7H,4-5,12H2,1-2H3,(H2,13,14).
What are the key properties of 4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one?
4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one is sourced from PubChem (CID 116596708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).